Search results for: computational%20mathematics
1523 Electrochemical Behavior of Cocaine on Carbon Paste Electrode Chemically Modified with Cu(II) Trans 3-MeO Salcn Complex
Authors: Alex Soares Castro, Matheus Manoel Teles de Menezes, Larissa Silva de Azevedo, Ana Carolina Caleffi Patelli, Osmair Vital de Oliveira, Aline Thais Bruni, Marcelo Firmino de Oliveira
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Considering the problem of the seizure of illicit drugs, as well as the development of electrochemical sensors using chemically modified electrodes, this work shows the study of the electrochemical activity of cocaine in carbon paste electrode chemically modified with Cu (II) trans 3-MeO salcn complex. In this context, cyclic voltammetry was performed on 0.1 mol.L⁻¹ KCl supporting electrolyte at a scan speed of 100 mV s⁻¹, using an electrochemical cell composed of three electrodes: Ag /AgCl electrode (filled KCl 3 mol.L⁻¹) from Metrohm® (reference electrode); a platinum spiral electrode, as an auxiliary electrode, and a carbon paste electrode chemically modified with Cu (II) trans 3-MeO complex (as working electrode). Two forms of cocaine were analyzed: cocaine hydrochloride (pH 3) and cocaine free base form (pH 8). The PM7 computational method predicted that the hydrochloride form is more stable than the free base form of cocaine, so with cyclic voltammetry, we found electrochemical signal only for cocaine in the form of hydrochloride, with an anodic peak at 1.10 V, with a linearity range between 2 and 20 μmol L⁻¹ had LD and LQ of 2.39 and 7.26x10-5 mol L⁻¹, respectively. The study also proved that cocaine is adsorbed on the surface of the working electrode, where through an irreversible process, where only anode peaks are observed, we have the oxidation of cocaine, which occurs in the hydrophilic region due to the loss of two electrons. The mechanism of this reaction was confirmed by the ab-inito quantum method.Keywords: ab-initio computational method, analytical method, cocaine, Schiff base complex, voltammetry
Procedia PDF Downloads 1831522 A Single Stage Rocket Using Solid Fuels in Conventional Propulsion Systems
Authors: John R Evans, Sook-Ying Ho, Rey Chin
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This paper describes the research investigations orientated to the starting and propelling of a solid fuel rocket engine which operates as combined cycle propulsion system using three thrust pulses. The vehicle has been designed to minimise the cost of launching small number of Nano/Cube satellites into low earth orbits (LEO). A technology described in this paper is a ground-based launch propulsion system which starts the rocket vertical motion immediately causing air flow to enter the ramjet’s intake. Current technology has a ramjet operation predicted to be able to start high subsonic speed of 280 m/s using a liquid fuel ramjet (LFRJ). The combined cycle engine configuration is in many ways fundamentally different from the LFRJ. A much lower subsonic start speed is highly desirable since the use of a mortar to obtain the latter speed for rocket means a shorter launcher length can be utilized. This paper examines the means and has some performance calculations, including Computational Fluid Dynamics analysis of air-intake at suitable operational conditions, 3-DOF point mass trajectory analysis of multi-pulse propulsion system (where pulse ignition time and thrust magnitude can be controlled), etc. of getting a combined cycle rocket engine use in a single stage vehicle.Keywords: combine cycle propulsion system, low earth orbit launch vehicle, computational fluid dynamics analysis, 3dof trajectory analysis
Procedia PDF Downloads 1851521 Evaluation of Initial Graft Tension during ACL Reconstruction Using a Three-Dimensional Computational Finite Element Simulation: Effect of the Combination of a Band of Gracilis with the Former Graft
Authors: S. Alireza Mirghasemi, Javad Parvizi, Narges R. Gabaran, Shervin Rashidinia, Mahdi M. Bijanabadi, Dariush G. Savadkoohi
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Background: The anterior cruciate ligament is one of the most frequent ligament to be disrupted. Surgical reconstruction of the anterior cruciate ligament is a common practice to treat the disability or chronic instability of the knee. Several factors associated with success or failure of the ACL reconstruction including preoperative laxity of the knee, selection of the graft material, surgical technique, graft tension, and postoperative rehabilitation. We aimed to examine the biomechanical properties of any graft type and initial graft tensioning during ACL reconstruction using 3-dimensional computational finite element simulation. Methods: In this paper, 3-dimensional model of the knee was constructed to investigate the effect of graft tensioning on the knee joint biomechanics. Four different grafts were compared: 1) Bone-patellar tendon-bone graft (BPTB) 2) Hamstring tendon 3) BPTB and a band of gracilis4) Hamstring and a band of gracilis. The initial graft tension was set as “0, 20, 40, or 60N”. The anterior loading was set to 134 N. Findings: The resulting stress pattern and deflection in any of these models were compared to that of the intact knee. The obtained results showed that the combination of a band of gracilis with the former graft (BPTB or Hamstring) increases the structural stiffness of the knee. Conclusion: Required pretension during surgery decreases significantly by adding a band of gracilis to the proper graft.Keywords: ACL reconstruction, deflection, finite element simulation, stress pattern
Procedia PDF Downloads 2911520 Influences of Separation of the Boundary Layer in the Reservoir Pressure in the Shock Tube
Authors: Bruno Coelho Lima, Joao F.A. Martos, Paulo G. P. Toro, Israel S. Rego
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The shock tube is a ground-facility widely used in aerospace and aeronautics science and technology for studies on gas dynamic and chemical-physical processes in gases at high-temperature, explosions and dynamic calibration of pressure sensors. A shock tube in its simplest form is comprised of two separate tubes of equal cross-section by a diaphragm. The diaphragm function is to separate the two reservoirs at different pressures. The reservoir containing high pressure is called the Driver, the low pressure reservoir is called Driven. When the diaphragm is broken by pressure difference, a normal shock wave and non-stationary (named Incident Shock Wave) will be formed in the same place of diaphragm and will get around toward the closed end of Driven. When this shock wave reaches the closer end of the Driven section will be completely reflected. Now, the shock wave will interact with the boundary layer that was created by the induced flow by incident shock wave passage. The interaction between boundary layer and shock wave force the separation of the boundary layer. The aim of this paper is to make an analysis of influences of separation of the boundary layer in the reservoir pressure in the shock tube. A comparison among CDF (Computational Fluids Dynamics), experiments test and analytical analysis were performed. For the analytical analysis, some routines in Python was created, in the numerical simulations (Computational Fluids Dynamics) was used the Ansys Fluent, and the experimental tests were used T1 shock tube located in IEAv (Institute of Advanced Studies).Keywords: boundary layer separation, moving shock wave, shock tube, transient simulation
Procedia PDF Downloads 3071519 High Aspect Ratio Micropillar Array Based Microfluidic Viscometer
Authors: Ahmet Erten, Adil Mustafa, Ayşenur Eser, Özlem Yalçın
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We present a new viscometer based on a microfluidic chip with elastic high aspect ratio micropillar arrays. The displacement of pillar tips in flow direction can be used to analyze viscosity of liquid. In our work, Computational Fluid Dynamics (CFD) is used to analyze pillar displacement of various micropillar array configurations in flow direction at different viscosities. Following CFD optimization, micro-CNC based rapid prototyping is used to fabricate molds for microfluidic chips. Microfluidic chips are fabricated out of polydimethylsiloxane (PDMS) using soft lithography methods with molds machined out of aluminum. Tip displacements of micropillar array (300 µm in diameter and 1400 µm in height) in flow direction are recorded using a microscope mounted camera, and the displacements are analyzed using image processing with an algorithm written in MATLAB. Experiments are performed with water-glycerol solutions mixed at 4 different ratios to attain 1 cP, 5 cP, 10 cP and 15 cP viscosities at room temperature. The prepared solutions are injected into the microfluidic chips using a syringe pump at flow rates from 10-100 mL / hr and the displacement versus flow rate is plotted for different viscosities. A displacement of around 1.5 µm was observed for 15 cP solution at 60 mL / hr while only a 1 µm displacement was observed for 10 cP solution. The presented viscometer design optimization is still in progress for better sensitivity and accuracy. Our microfluidic viscometer platform has potential for tailor made microfluidic chips to enable real time observation and control of viscosity changes in biological or chemical reactions.Keywords: Computational Fluid Dynamics (CFD), high aspect ratio, micropillar array, viscometer
Procedia PDF Downloads 2401518 Portfolio Optimization with Reward-Risk Ratio Measure Based on the Mean Absolute Deviation
Authors: Wlodzimierz Ogryczak, Michal Przyluski, Tomasz Sliwinski
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In problems of portfolio selection, the reward-risk ratio criterion is optimized to search for a risky portfolio with the maximum increase of the mean return in proportion to the risk measure increase when compared to the risk-free investments. In the classical model, following Markowitz, the risk is measured by the variance thus representing the Sharpe ratio optimization and leading to the quadratic optimization problems. Several Linear Programming (LP) computable risk measures have been introduced and applied in portfolio optimization. In particular, the Mean Absolute Deviation (MAD) measure has been widely recognized. The reward-risk ratio optimization with the MAD measure can be transformed into the LP formulation with the number of constraints proportional to the number of scenarios and the number of variables proportional to the total of the number of scenarios and the number of instruments. This may lead to the LP models with huge number of variables and constraints in the case of real-life financial decisions based on several thousands scenarios, thus decreasing their computational efficiency and making them hardly solvable by general LP tools. We show that the computational efficiency can be then dramatically improved by an alternative model based on the inverse risk-reward ratio minimization and by taking advantages of the LP duality. In the introduced LP model the number of structural constraints is proportional to the number of instruments thus not affecting seriously the simplex method efficiency by the number of scenarios and therefore guaranteeing easy solvability. Moreover, we show that under natural restriction on the target value the MAD risk-reward ratio optimization is consistent with the second order stochastic dominance rules.Keywords: portfolio optimization, reward-risk ratio, mean absolute deviation, linear programming
Procedia PDF Downloads 3971517 Frequency Response of Complex Systems with Localized Nonlinearities
Authors: E. Menga, S. Hernandez
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Finite Element Models (FEMs) are widely used in order to study and predict the dynamic properties of structures and usually, the prediction can be obtained with much more accuracy in the case of a single component than in the case of assemblies. Especially for structural dynamics studies, in the low and middle frequency range, most complex FEMs can be seen as assemblies made by linear components joined together at interfaces. From a modelling and computational point of view, these types of joints can be seen as localized sources of stiffness and damping and can be modelled as lumped spring/damper elements, most of time, characterized by nonlinear constitutive laws. On the other side, most of FE programs are able to run nonlinear analysis in time-domain. They treat the whole structure as nonlinear, even if there is one nonlinear degree of freedom (DOF) out of thousands of linear ones, making the analysis unnecessarily expensive from a computational point of view. In this work, a methodology in order to obtain the nonlinear frequency response of structures, whose nonlinearities can be considered as localized sources, is presented. The work extends the well-known Structural Dynamic Modification Method (SDMM) to a nonlinear set of modifications, and allows getting the Nonlinear Frequency Response Functions (NLFRFs), through an ‘updating’ process of the Linear Frequency Response Functions (LFRFs). A brief summary of the analytical concepts is given, starting from the linear formulation and understanding what the implications of the nonlinear one, are. The response of the system is formulated in both: time and frequency domain. First the Modal Database is extracted and the linear response is calculated. Secondly the nonlinear response is obtained thru the NL SDMM, by updating the underlying linear behavior of the system. The methodology, implemented in MATLAB, has been successfully applied to estimate the nonlinear frequency response of two systems. The first one is a two DOFs spring-mass-damper system, and the second example takes into account a full aircraft FE Model. In spite of the different levels of complexity, both examples show the reliability and effectiveness of the method. The results highlight a feasible and robust procedure, which allows a quick estimation of the effect of localized nonlinearities on the dynamic behavior. The method is particularly powerful when most of the FE Model can be considered as acting linearly and the nonlinear behavior is restricted to few degrees of freedom. The procedure is very attractive from a computational point of view because the FEM needs to be run just once, which allows faster nonlinear sensitivity analysis and easier implementation of optimization procedures for the calibration of nonlinear models.Keywords: frequency response, nonlinear dynamics, structural dynamic modification, softening effect, rubber
Procedia PDF Downloads 2611516 A Modified Nonlinear Conjugate Gradient Algorithm for Large Scale Unconstrained Optimization Problems
Authors: Tsegay Giday Woldu, Haibin Zhang, Xin Zhang, Yemane Hailu Fissuh
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It is well known that nonlinear conjugate gradient method is one of the widely used first order methods to solve large scale unconstrained smooth optimization problems. Because of the low memory requirement, attractive theoretical features, practical computational efficiency and nice convergence properties, nonlinear conjugate gradient methods have a special role for solving large scale unconstrained optimization problems. Large scale optimization problems are with important applications in practical and scientific world. However, nonlinear conjugate gradient methods have restricted information about the curvature of the objective function and they are likely less efficient and robust compared to some second order algorithms. To overcome these drawbacks, the new modified nonlinear conjugate gradient method is presented. The noticeable features of our work are that the new search direction possesses the sufficient descent property independent of any line search and it belongs to a trust region. Under mild assumptions and standard Wolfe line search technique, the global convergence property of the proposed algorithm is established. Furthermore, to test the practical computational performance of our new algorithm, numerical experiments are provided and implemented on the set of some large dimensional unconstrained problems. The numerical results show that the proposed algorithm is an efficient and robust compared with other similar algorithms.Keywords: conjugate gradient method, global convergence, large scale optimization, sufficient descent property
Procedia PDF Downloads 1901515 Simulation and Experimental Study on Dual Dense Medium Fluidization Features of Air Dense Medium Fluidized Bed
Authors: Cheng Sheng, Yuemin Zhao, Chenlong Duan
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Air dense medium fluidized bed is a typical application of fluidization techniques for coal particle separation in arid areas, where it is costly to implement wet coal preparation technologies. In the last three decades, air dense medium fluidized bed, as an efficient dry coal separation technique, has been studied in many aspects, including energy and mass transfer, hydrodynamics, bubbling behaviors, etc. Despite numerous researches have been published, the fluidization features, especially dual dense medium fluidization features have been rarely reported. In dual dense medium fluidized beds, different combinations of different dense mediums play a significant role in fluidization quality variation, thus influencing coal separation efficiency. Moreover, to what extent different dense mediums mix and to what extent the two-component particulate mixture affects the fluidization performance and quality have been in suspense. The proposed work attempts to reveal underlying mechanisms of generation and evolution of two-component particulate mixture in the fluidization process. Based on computational fluid dynamics methods and discrete particle modelling, movement and evolution of dual dense mediums in air dense medium fluidized bed have been simulated. Dual dense medium fluidization experiments have been conducted. Electrical capacitance tomography was employed to investigate the distribution of two-component mixture in experiments. Underlying mechanisms involving two-component particulate fluidization are projected to be demonstrated with the analysis and comparison of simulation and experimental results.Keywords: air dense medium fluidized bed, particle separation, computational fluid dynamics, discrete particle modelling
Procedia PDF Downloads 3721514 Aeroacoustics Investigations of Unsteady 3D Airfoil for Different Angle Using Computational Fluid Dynamics Software
Authors: Haydar Kepekçi, Baha Zafer, Hasan Rıza Güven
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Noise disturbance is one of the major factors considered in the fast development of aircraft technology. This paper reviews the flow field, which is examined on the 2D NACA0015 and 3D NACA0012 blade profile using SST k-ω turbulence model to compute the unsteady flow field. We inserted the time-dependent flow area variables in Ffowcs-Williams and Hawkings (FW-H) equations as an input and Sound Pressure Level (SPL) values will be computed for different angles of attack (AoA) from the microphone which is positioned in the computational domain to investigate effect of augmentation of unsteady 2D and 3D airfoil region noise level. The computed results will be compared with experimental data which are available in the open literature. As results; one of the calculated Cp is slightly lower than the experimental value. This difference could be due to the higher Reynolds number of the experimental data. The ANSYS Fluent software was used in this study. Fluent includes well-validated physical modeling capabilities to deliver fast, accurate results across the widest range of CFD and multiphysics applications. This paper includes a study which is on external flow over an airfoil. The case of 2D NACA0015 has approximately 7 million elements and solves compressible fluid flow with heat transfer using the SST turbulence model. The other case of 3D NACA0012 has approximately 3 million elements.Keywords: 3D blade profile, noise disturbance, aeroacoustics, Ffowcs-Williams and Hawkings (FW-H) equations, k-ω-SST turbulence model
Procedia PDF Downloads 2011513 Effect of Bi-Dispersity on Particle Clustering in Sedimentation
Authors: Ali Abbas Zaidi
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In free settling or sedimentation, particles form clusters at high Reynolds number and dilute suspensions. It is due to the entrapment of particles in the wakes of upstream particles. In this paper, the effect of bi-dispersity of settling particles on particle clustering is investigated using particle-resolved direct numerical simulation. Immersed boundary method is used for particle fluid interactions and discrete element method is used for particle-particle interactions. The solid volume fraction used in the simulation is 1% and the Reynolds number based on Sauter mean diameter is 350. Both solid volume fraction and Reynolds number lie in the clustering regime of sedimentation. In simulations, the particle diameter ratio (i.e. diameter of larger particle to smaller particle (d₁/d₂)) is varied from 2:1, 3:1 and 4:1. For each case of particle diameter ratio, solid volume fraction for each particle size (φ₁/φ₂) is varied from 1:1, 1:2 and 2:1. For comparison, simulations are also performed for monodisperse particles. For studying particles clustering, radial distribution function and instantaneous location of particles in the computational domain are studied. It is observed that the degree of particle clustering decreases with the increase in the bi-dispersity of settling particles. The smallest degree of particle clustering or dispersion of particles is observed for particles with d₁/d₂ equal to 4:1 and φ₁/φ₂ equal to 1:2. Simulations showed that the reduction in particle clustering by increasing bi-dispersity is due to the difference in settling velocity of particles. Particles with larger size settle faster and knockout the smaller particles from clustered regions of particles in the computational domain.Keywords: dispersion in bi-disperse settling particles, particle microstructures in bi-disperse suspensions, particle resolved direct numerical simulations, settling of bi-disperse particles
Procedia PDF Downloads 1941512 Earthquake Forecasting Procedure Due to Diurnal Stress Transfer by the Core to the Crust
Authors: Hassan Gholibeigian, Kazem Gholibeigian
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In this paper, our goal is determination of loading versus time in crust. For this goal, we present a computational procedure to propose a cumulative strain energy time profile which can be used to predict the approximate location and time of the next major earthquake (M > 4.5) along a specific fault, which we believe, is more accurate than many of the methods presently in use. In the coming pages, after a short review of the research works presently going on in the area of earthquake analysis and prediction, earthquake mechanisms in both the jerk and sequence earthquake direction is discussed, then our computational procedure is presented using differential equations of equilibrium which govern the nonlinear dynamic response of a system of finite elements, modified with an extra term to account for the jerk produced during the quake. We then employ Von Mises developed model for the stress strain relationship in our calculations, modified with the addition of an extra term to account for thermal effects. For calculation of the strain energy the idea of Pulsating Mantle Hypothesis (PMH) is used. This hypothesis, in brief, states that the mantle is under diurnal cyclic pulsating loads due to unbalanced gravitational attraction of the sun and the moon. A brief discussion is done on the Denali fault as a case study. The cumulative strain energy is then graphically represented versus time. At the end, based on some hypothetic earthquake data, the final results are verified.Keywords: pulsating mantle hypothesis, inner core’s dislocation, outer core’s bulge, constitutive model, transient hydro-magneto-thermo-mechanical load, diurnal stress, jerk, fault behaviour
Procedia PDF Downloads 2671511 Hydrodynamics Study on Planing Hull with and without Step Using Numerical Solution
Authors: Koe Han Beng, Khoo Boo Cheong
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The rising interest of stepped hull design has been led by the demand of more efficient high-speed boat. At the same time, the need of accurate prediction method for stepped planing hull is getting more important. By understanding the flow at high Froude number is the key in designing a practical step hull, the study surrounding stepped hull has been done mainly in the towing tank which is time-consuming and costly for initial design phase. Here the feasibility of predicting hydrodynamics of high-speed planing hull both with and without step using computational fluid dynamics (CFD) with the volume of fluid (VOF) methodology is studied in this work. First the flow around the prismatic body is analyzed, the force generated and its center of pressure are compared with available experimental and empirical data from the literature. The wake behind the transom on the keel line as well as the quarter beam buttock line are then compared with the available data, this is important since the afterbody flow of stepped hull is subjected from the wake of the forebody. Finally the calm water performance prediction of a conventional planing hull and its stepped version is then analyzed. Overset mesh methodology is employed in solving the dynamic equilibrium of the hull. The resistance, trim, and heave are then compared with the experimental data. The resistance is found to be predicted well and the dynamic equilibrium solved by the numerical method is deemed to be acceptable. This means that computational fluid dynamics will be very useful in further study on the complex flow around stepped hull and its potential usage in the design phase.Keywords: planing hulls, stepped hulls, wake shape, numerical simulation, hydrodynamics
Procedia PDF Downloads 2751510 Development of a Reduced Multicomponent Jet Fuel Surrogate for Computational Fluid Dynamics Application
Authors: Muhammad Zaman Shakir, Mingfa Yao, Zohaib Iqbal
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This study proposed four Jet fuel surrogate (S1, S2 S3, and 4) with careful selection of seven large hydrocarbon fuel components, ranging from C₉-C₁₆ of higher molecular weight and higher boiling point, adapting the standard molecular distribution size of the actual jet fuel. The surrogate was composed of seven components, including n-propyl cyclohexane (C₉H₁₈), n- propylbenzene (C₉H₁₂), n-undecane (C₁₁H₂₄), n- dodecane (C₁₂H₂₆), n-tetradecane (C₁₄H₃₀), n-hexadecane (C₁₆H₃₄) and iso-cetane (iC₁₆H₃₄). The skeletal jet fuel surrogate reaction mechanism was developed by two approaches, firstly based on a decoupling methodology by describing the C₄ -C₁₆ skeletal mechanism for the oxidation of heavy hydrocarbons and a detailed H₂ /CO/C₁ mechanism for prediction of oxidation of small hydrocarbons. The combined skeletal jet fuel surrogate mechanism was compressed into 128 species, and 355 reactions and thereby can be used in computational fluid dynamics (CFD) simulation. The extensive validation was performed for individual single-component including ignition delay time, species concentrations profile and laminar flame speed based on various fundamental experiments under wide operating conditions, and for their blended mixture, among all the surrogate, S1 has been extensively validated against the experimental data in a shock tube, rapid compression machine, jet-stirred reactor, counterflow flame, and premixed laminar flame over wide ranges of temperature (700-1700 K), pressure (8-50 atm), and equivalence ratio (0.5-2.0) to capture the properties target fuel Jet-A, while the rest of three surrogate S2, S3 and S4 has been validated for Shock Tube ignition delay time only to capture the ignition characteristic of target fuel S-8 & GTL, IPK and RP-3 respectively. Based on the newly proposed HyChem model, another four surrogate with similar components and composition, was developed and parallel validations data was used as followed for previously developed surrogate but at high-temperature condition only. After testing the mechanism prediction performance of surrogates developed by the decoupling methodology, the comparison was done with the results of surrogates developed by the HyChem model. It was observed that all of four proposed surrogates in this study showed good agreement with the experimental measurements and the study comes to this conclusion that like the decoupling methodology HyChem model also has a great potential for the development of oxidation mechanism for heavy alkanes because of applicability, simplicity, and compactness.Keywords: computational fluid dynamics, decoupling methodology Hychem, jet fuel, surrogate, skeletal mechanism
Procedia PDF Downloads 1241509 Modelling and Simulation Efforts in Scale-Up and Characterization of Semi-Solid Dosage Forms
Authors: Saurav S. Rath, Birendra K. David
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Generic pharmaceutical industry has to operate in strict timelines of product development and scale-up from lab to plant. Hence, detailed product & process understanding and implementation of appropriate mechanistic modelling and Quality-by-design (QbD) approaches are imperative in the product life cycle. This work provides example cases of such efforts in topical dosage products. Topical products are typically in the form of emulsions, gels, thick suspensions or even simple solutions. The efficacy of such products is determined by characteristics like rheology and morphology. Defining, and scaling up the right manufacturing process with a given set of ingredients, to achieve the right product characteristics presents as a challenge to the process engineer. For example, the non-Newtonian rheology varies not only with CPPs and CMAs but also is an implicit function of globule size (CQA). Hence, this calls for various mechanistic models, to help predict the product behaviour. This paper focusses on such models obtained from computational fluid dynamics (CFD) coupled with population balance modelling (PBM) and constitutive models (like shear, energy density). In a special case of the use of high shear homogenisers (HSHs) for the manufacture of thick emulsions/gels, this work presents some findings on (i) scale-up algorithm for HSH using shear strain, a novel scale-up parameter for estimating mixing parameters, (ii) non-linear relationship between viscosity and shear imparted into the system, (iii) effect of hold time on rheology of product. Specific examples of how this approach enabled scale-up across 1L, 10L, 200L, 500L and 1000L scales will be discussed.Keywords: computational fluid dynamics, morphology, quality-by-design, rheology
Procedia PDF Downloads 2631508 Implicit U-Net Enhanced Fourier Neural Operator for Long-Term Dynamics Prediction in Turbulence
Authors: Zhijie Li, Wenhui Peng, Zelong Yuan, Jianchun Wang
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Turbulence is a complex phenomenon that plays a crucial role in various fields, such as engineering, atmospheric science, and fluid dynamics. Predicting and understanding its behavior over long time scales have been challenging tasks. Traditional methods, such as large-eddy simulation (LES), have provided valuable insights but are computationally expensive. In the past few years, machine learning methods have experienced rapid development, leading to significant improvements in computational speed. However, ensuring stable and accurate long-term predictions remains a challenging task for these methods. In this study, we introduce the implicit U-net enhanced Fourier neural operator (IU-FNO) as a solution for stable and efficient long-term predictions of the nonlinear dynamics in three-dimensional (3D) turbulence. The IU-FNO model combines implicit re-current Fourier layers to deepen the network and incorporates the U-Net architecture to accurately capture small-scale flow structures. We evaluate the performance of the IU-FNO model through extensive large-eddy simulations of three types of 3D turbulence: forced homogeneous isotropic turbulence (HIT), temporally evolving turbulent mixing layer, and decaying homogeneous isotropic turbulence. The results demonstrate that the IU-FNO model outperforms other FNO-based models, including vanilla FNO, implicit FNO (IFNO), and U-net enhanced FNO (U-FNO), as well as the dynamic Smagorinsky model (DSM), in predicting various turbulence statistics. Specifically, the IU-FNO model exhibits improved accuracy in predicting the velocity spectrum, probability density functions (PDFs) of vorticity and velocity increments, and instantaneous spatial structures of the flow field. Furthermore, the IU-FNO model addresses the stability issues encountered in long-term predictions, which were limitations of previous FNO models. In addition to its superior performance, the IU-FNO model offers faster computational speed compared to traditional large-eddy simulations using the DSM model. It also demonstrates generalization capabilities to higher Taylor-Reynolds numbers and unseen flow regimes, such as decaying turbulence. Overall, the IU-FNO model presents a promising approach for long-term dynamics prediction in 3D turbulence, providing improved accuracy, stability, and computational efficiency compared to existing methods.Keywords: data-driven, Fourier neural operator, large eddy simulation, fluid dynamics
Procedia PDF Downloads 661507 An Analytical Approach of Computational Complexity for the Method of Multifluid Modelling
Authors: A. K. Borah, A. K. Singh
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In this paper we deal building blocks of the computer simulation of the multiphase flows. Whole simulation procedure can be viewed as two super procedures; The implementation of VOF method and the solution of Navier Stoke’s Equation. Moreover, a sequential code for a Navier Stoke’s solver has been studied.Keywords: Bi-conjugate gradient stabilized (Bi-CGSTAB), ILUT function, krylov subspace, multifluid flows preconditioner, simple algorithm
Procedia PDF Downloads 5201506 Numerical Investigation of Pressure Drop in Core Annular Horizontal Pipe Flow
Authors: John Abish, Bibin John
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Liquid-liquid flow in horizontal pipe is investigated in order to reveal the flow patterns arising from the co-existed flow of oil and water. The main focus of the study is to identify the feasibility of reducing the pumping power requirements of petroleum transportation lines by having an annular flow of water around the thick oil core. This idea makes oil transportation cheaper and easier. The present study uses computational fluid dynamics techniques to model oil-water flows with liquids of similar density and varying viscosity. The simulation of the flow is conducted using commercial package Ansys Fluent. Flow domain modeling and grid generation accomplished through ICEM CFD. The horizontal pipe is modeled with two different inlets and meshed with O-Grid mesh. The standard k-ε turbulence scheme along with the volume of fluid (VOF) multiphase modeling method is used to simulate the oil-water flow. Transient flow simulations carried out for a total period of 30s showed significant reduction in pressure drop while employing core annular flow concept. This study also reveals the effect of viscosity ratio, mass flow rates of individual fluids and ration of superficial velocities on the pressure drop across the pipe length. Contours of velocity and volume fractions are employed along with pressure predictions to assess the effectiveness of this proposed concept quantitatively as well as qualitatively. The outcome of the present study is found to be very relevant for the petrochemical industries.Keywords: computational fluid dynamics, core-annular flows, frictional flow resistance, oil transportation, pressure drop
Procedia PDF Downloads 3921505 Critically Sampled Hybrid Trigonometry Generalized Discrete Fourier Transform for Multistandard Receiver Platform
Authors: Temidayo Otunniyi
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This paper presents a low computational channelization algorithm for the multi-standards platform using poly phase implementation of a critically sampled hybrid Trigonometry generalized Discrete Fourier Transform, (HGDFT). An HGDFT channelization algorithm exploits the orthogonality of two trigonometry Fourier functions, together with the properties of Quadrature Mirror Filter Bank (QMFB) and Exponential Modulated filter Bank (EMFB), respectively. HGDFT shows improvement in its implementation in terms of high reconfigurability, lower filter length, parallelism, and medium computational activities. Type 1 and type 111 poly phase structures are derived for real-valued HGDFT modulation. The design specifications are decimated critically and over-sampled for both single and multi standards receiver platforms. Evaluating the performance of oversampled single standard receiver channels, the HGDFT algorithm achieved 40% complexity reduction, compared to 34% and 38% reduction in the Discrete Fourier Transform (DFT) and tree quadrature mirror filter (TQMF) algorithm. The parallel generalized discrete Fourier transform (PGDFT) and recombined generalized discrete Fourier transform (RGDFT) had 41% complexity reduction and HGDFT had a 46% reduction in oversampling multi-standards mode. While in the critically sampled multi-standard receiver channels, HGDFT had complexity reduction of 70% while both PGDFT and RGDFT had a 34% reduction.Keywords: software defined radio, channelization, critical sample rate, over-sample rate
Procedia PDF Downloads 1271504 Elasto-Plastic Analysis of Structures Using Adaptive Gaussian Springs Based Applied Element Method
Authors: Mai Abdul Latif, Yuntian Feng
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Applied Element Method (AEM) is a method that was developed to aid in the analysis of the collapse of structures. Current available methods cannot deal with structural collapse accurately; however, AEM can simulate the behavior of a structure from an initial state of no loading until collapse of the structure. The elements in AEM are connected with sets of normal and shear springs along the edges of the elements, that represent the stresses and strains of the element in that region. The elements are rigid, and the material properties are introduced through the spring stiffness. Nonlinear dynamic analysis has been widely modelled using the finite element method for analysis of progressive collapse of structures; however, difficulties in the analysis were found at the presence of excessively deformed elements with cracking or crushing, as well as having a high computational cost, and difficulties on choosing the appropriate material models for analysis. The Applied Element method is developed and coded to significantly improve the accuracy and also reduce the computational costs of the method. The scheme works for both linear elastic, and nonlinear cases, including elasto-plastic materials. This paper will focus on elastic and elasto-plastic material behaviour, where the number of springs required for an accurate analysis is tested. A steel cantilever beam is used as the structural element for the analysis. The first modification of the method is based on the Gaussian Quadrature to distribute the springs. Usually, the springs are equally distributed along the face of the element, but it was found that using Gaussian springs, only up to 2 springs were required for perfectly elastic cases, while with equal springs at least 5 springs were required. The method runs on a Newton-Raphson iteration scheme, and quadratic convergence was obtained. The second modification is based on adapting the number of springs required depending on the elasticity of the material. After the first Newton Raphson iteration, Von Mises stress conditions were used to calculate the stresses in the springs, and the springs are classified as elastic or plastic. Then transition springs, springs located exactly between the elastic and plastic region, are interpolated between regions to strictly identify the elastic and plastic regions in the cross section. Since a rectangular cross-section was analyzed, there were two plastic regions (top and bottom), and one elastic region (middle). The results of the present study show that elasto-plastic cases require only 2 springs for the elastic region, and 2 springs for the plastic region. This showed to improve the computational cost, reducing the minimum number of springs in elasto-plastic cases to only 6 springs. All the work is done using MATLAB and the results will be compared to models of structural elements using the finite element method in ANSYS.Keywords: applied element method, elasto-plastic, Gaussian springs, nonlinear
Procedia PDF Downloads 2171503 [Keynote Talk]: Mathematical and Numerical Modelling of the Cardiovascular System: Macroscale, Mesoscale and Microscale Applications
Authors: Aymen Laadhari
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The cardiovascular system is centered on the heart and is characterized by a very complex structure with different physical scales in space (e.g. micrometers for erythrocytes and centimeters for organs) and time (e.g. milliseconds for human brain activity and several years for development of some pathologies). The development and numerical implementation of mathematical models of the cardiovascular system is a tremendously challenging topic at the theoretical and computational levels, inducing consequently a growing interest over the past decade. The accurate computational investigations in both healthy and pathological cases of processes related to the functioning of the human cardiovascular system can be of great potential in tackling several problems of clinical relevance and in improving the diagnosis of specific diseases. In this talk, we focus on the specific task of simulating three particular phenomena related to the cardiovascular system on the macroscopic, mesoscopic and microscopic scales, respectively. Namely, we develop numerical methodologies tailored for the simulation of (i) the haemodynamics (i.e., fluid mechanics of blood) in the aorta and sinus of Valsalva interacting with highly deformable thin leaflets, (ii) the hyperelastic anisotropic behaviour of cardiomyocytes and the influence of calcium concentrations on the contraction of single cells, and (iii) the dynamics of red blood cells in microvasculature. For each problem, we present an appropriate fully Eulerian finite element methodology. We report several numerical examples to address in detail the relevance of the mathematical models in terms of physiological meaning and to illustrate the accuracy and efficiency of the numerical methods.Keywords: finite element method, cardiovascular system, Eulerian framework, haemodynamics, heart valve, cardiomyocyte, red blood cell
Procedia PDF Downloads 2411502 Numerical Simulation of Flow and Heat Transfer Characteristics with Various Working Conditions inside a Reactor of Wet Scrubber
Authors: Jonghyuk Yoon, Hyoungwoon Song, Youngbae Kim, Eunju Kim
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Recently, with the rapid growth of semiconductor industry, lots of interests have been focused on after treatment system that remove the polluted gas produced from semiconductor manufacturing process, and a wet scrubber is the one of the widely used system. When it comes to mechanism of removing the gas, the polluted gas is removed firstly by chemical reaction in a reactor part. After that, the polluted gas stream is brought into contact with the scrubbing liquid, by spraying it with the liquid. Effective design of the reactor part inside the wet scrubber is highly important since removal performance of the polluted gas in the reactor plays an important role in overall performance and stability. In the present study, a CFD (Computational Fluid Dynamics) analysis was performed to figure out the thermal and flow characteristics inside unit a reactor of wet scrubber. In order to verify the numerical result, temperature distribution of the numerical result at various monitoring points was compared to the experimental result. The average error rates (12~15%) between them was shown and the numerical result of temperature distribution was in good agreement with the experimental data. By using validated numerical method, the effect of the reactor geometry on heat transfer rate was also taken into consideration. Uniformity of temperature distribution was improved about 15%. Overall, the result of present study could be useful information to identify the fluid behavior and thermal performance for various scrubber systems. This project is supported by the ‘R&D Center for the reduction of Non-CO₂ Greenhouse gases (RE201706054)’ funded by the Korea Ministry of Environment (MOE) as the Global Top Environment R&D Program.Keywords: semiconductor, polluted gas, CFD (Computational Fluid Dynamics), wet scrubber, reactor
Procedia PDF Downloads 1311501 A Novel Rapid Well Control Technique Modelled in Computational Fluid Dynamics Software
Authors: Michael Williams
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The ability to control a flowing well is of the utmost important. During the kill phase, heavy weight kill mud is circulated around the well. While increasing bottom hole pressure near wellbore formation, the damage is increased. The addition of high density spherical objects has the potential to minimise this near wellbore damage, increase bottom hole pressure and reduce operational time to kill the well. This operational time saving is seen in the rapid deployment of high density spherical objects instead of building high density drilling fluid. The research aims to model the well kill process using a Computational Fluid Dynamics software. A model has been created as a proof of concept to analyse the flow of micron sized spherical objects in the drilling fluid. Initial results show that this new methodology of spherical objects in drilling fluid agrees with traditional stream lines seen in non-particle flow. Additional models have been created to demonstrate that areas of higher flow rate around the bit can lead to increased probability of wash out of formations but do not affect the flow of micron sized spherical objects. Interestingly, areas that experience dimensional changes such as tool joints and various BHA components do not appear at this initial stage to experience increased velocity or create areas of turbulent flow, which could lead to further borehole stability. In conclusion, the initial models of this novel well control methodology have not demonstrated any adverse flow patterns, which would conclude that this model may be viable under field conditions.Keywords: well control, fluid mechanics, safety, environment
Procedia PDF Downloads 1641500 Magnetic Navigation of Nanoparticles inside a 3D Carotid Model
Authors: E. G. Karvelas, C. Liosis, A. Theodorakakos, T. E. Karakasidis
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Magnetic navigation of the drug inside the human vessels is a very important concept since the drug is delivered to the desired area. Consequently, the quantity of the drug required to reach therapeutic levels is being reduced while the drug concentration at targeted sites is increased. Magnetic navigation of drug agents can be achieved with the use of magnetic nanoparticles where anti-tumor agents are loaded on the surface of the nanoparticles. The magnetic field that is required to navigate the particles inside the human arteries is produced by a magnetic resonance imaging (MRI) device. The main factors which influence the efficiency of the usage of magnetic nanoparticles for biomedical applications in magnetic driving are the size and the magnetization of the biocompatible nanoparticles. In this study, a computational platform for the simulation of the optimal gradient magnetic fields for the navigation of magnetic nanoparticles inside a carotid artery is presented. For the propulsion model of the particles, seven major forces are considered, i.e., the magnetic force from MRIs main magnet static field as well as the magnetic field gradient force from the special propulsion gradient coils. The static field is responsible for the aggregation of nanoparticles, while the magnetic gradient contributes to the navigation of the agglomerates that are formed. Moreover, the contact forces among the aggregated nanoparticles and the wall and the Stokes drag force for each particle are considered, while only spherical particles are used in this study. In addition, gravitational forces due to gravity and the force due to buoyancy are included. Finally, Van der Walls force and Brownian motion are taken into account in the simulation. The OpenFoam platform is used for the calculation of the flow field and the uncoupled equations of particles' motion. To verify the optimal gradient magnetic fields, a covariance matrix adaptation evolution strategy (CMAES) is used in order to navigate the particles into the desired area. A desired trajectory is inserted into the computational geometry, which the particles are going to be navigated in. Initially, the CMAES optimization strategy provides the OpenFOAM program with random values of the gradient magnetic field. At the end of each simulation, the computational platform evaluates the distance between the particles and the desired trajectory. The present model can simulate the motion of particles when they are navigated by the magnetic field that is produced by the MRI device. Under the influence of fluid flow, the model investigates the effect of different gradient magnetic fields in order to minimize the distance of particles from the desired trajectory. In addition, the platform can navigate the particles into the desired trajectory with an efficiency between 80-90%. On the other hand, a small number of particles are stuck to the walls and remains there for the rest of the simulation.Keywords: artery, drug, nanoparticles, navigation
Procedia PDF Downloads 1001499 Efficient Chess Board Representation: A Space-Efficient Protocol
Authors: Raghava Dhanya, Shashank S.
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This paper delves into the intersection of chess and computer science, specifically focusing on the efficient representation of chess game states. We propose two methods: the Static Method and the Dynamic Method, each offering unique advantages in terms of space efficiency and computational complexity. The Static Method aims to represent the game state using a fixedlength encoding, allocating 192 bits to capture the positions of all pieces on the board. This method introduces a protocol for ordering and encoding piece positions, ensuring efficient storage and retrieval. However, it faces challenges in representing pieces no longer in play. In contrast, the Dynamic Method adapts to the evolving game state by dynamically adjusting the encoding length based on the number of pieces in play. By incorporating Alive Bits for each piece kind, this method achieves greater flexibility and space efficiency. Additionally, it includes provisions for encoding additional game state information such as castling rights and en passant squares. Our findings demonstrate that the Dynamic Method offers superior space efficiency compared to traditional Forsyth-Edwards Notation (FEN), particularly as the game progresses and pieces are captured. However, it comes with increased complexity in encoding and decoding processes. In conclusion, this study provides insights into optimizing the representation of chess game states, offering potential applications in chess engines, game databases, and artificial intelligence research. The proposed methods offer a balance between space efficiency and computational overhead, paving the way for further advancements in the field.Keywords: chess, optimisation, encoding, bit manipulation
Procedia PDF Downloads 351498 The Use of Polar Substituent Groups for Promoting Azo Disperse Dye Solubility and Reactivity for More Economic and Environmental Benign Applications: A Computational Study
Authors: Olaide O. Wahab, Lukman O. Olasunkanmi, Krishna K. Govender, Penny P. Govender
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The economic and environmental challenges associated with azo disperse dyes applications are due to poor aqueous solubility and low degradation tendency which stems from low chemical reactivity. Poor aqueous solubility property of this group of dyes necessitates the use of dispersing agents which increase operational costs and also release toxic chemical components into the environment, while their low degradation tendency is due to the high stability of the azo functional group (-N=N-) in their chemical structures. To address these problems, this study investigated theoretically the effects of some polar substituents on the aqueous solubility and reactivity properties of disperse yellow (DY) 119 dye with a view to theoretically develop new azo disperse dyes with improved solubility in water and higher degradation tendency in the environment using DMol³ computational code. All calculations were carried out using the Becke and Perdew version of Volsko-Wilk-Nusair (VWN-BP) level of density functional theory in conjunction with double numerical basis set containing polarization function (DNP). The aqueous solubility determination was achieved with conductor-like screening model for realistic solvation (COSMO-RS) in conjunction with known empirical solubility model, while the reactivity was predicted using frontier molecular orbital calculations. Most of the new derivatives studied showed evidence of higher aqueous solubility and degradation tendency compared to the parent dye. We conclude that these derivatives are promising alternative dyes for more economic and environmental benign dyeing practice and therefore recommend them for synthesis.Keywords: aqueous solubility, azo disperse dye, degradation, disperse yellow 119, DMol³, reactivity
Procedia PDF Downloads 1961497 Effect of Drag Coefficient Models concerning Global Air-Sea Momentum Flux in Broad Wind Range including Extreme Wind Speeds
Authors: Takeshi Takemoto, Naoya Suzuki, Naohisa Takagaki, Satoru Komori, Masako Terui, George Truscott
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Drag coefficient is an important parameter in order to correctly estimate the air-sea momentum flux. However, The parameterization of the drag coefficient hasn’t been established due to the variation in the field data. Instead, a number of drag coefficient model formulae have been proposed, even though almost all these models haven’t discussed the extreme wind speed range. With regards to such models, it is unclear how the drag coefficient changes in the extreme wind speed range as the wind speed increased. In this study, we investigated the effect of the drag coefficient models concerning the air-sea momentum flux in the extreme wind range on a global scale, comparing two different drag coefficient models. Interestingly, one model didn’t discuss the extreme wind speed range while the other model considered it. We found that the difference of the models in the annual global air-sea momentum flux was small because the occurrence frequency of strong wind was approximately 1% with a wind speed of 20m/s or more. However, we also discovered that the difference of the models was shown in the middle latitude where the annual mean air-sea momentum flux was large and the occurrence frequency of strong wind was high. In addition, the estimated data showed that the difference of the models in the drag coefficient was large in the extreme wind speed range and that the largest difference became 23% with a wind speed of 35m/s or more. These results clearly show that the difference of the two models concerning the drag coefficient has a significant impact on the estimation of a regional air-sea momentum flux in an extreme wind speed range such as that seen in a tropical cyclone environment. Furthermore, we estimated each air-sea momentum flux using several kinds of drag coefficient models. We will also provide data from an observation tower and result from CFD (Computational Fluid Dynamics) concerning the influence of wind flow at and around the place.Keywords: air-sea interaction, drag coefficient, air-sea momentum flux, CFD (Computational Fluid Dynamics)
Procedia PDF Downloads 3661496 An Experimental (Wind Tunnel) and Numerical (CFD) Study on the Flow over Hills
Authors: Tanit Daniel Jodar Vecina, Adriane Prisco Petry
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The shape of the wind velocity profile changes according to local features of terrain shape and roughness, which are parameters responsible for defining the Atmospheric Boundary Layer (ABL) profile. Air flow characteristics over and around landforms, such as hills, are of considerable importance for applications related to Wind Farm and Turbine Engineering. The air flow is accelerated on top of hills, which can represent a decisive factor for Wind Turbine placement choices. The present work focuses on the study of ABL behavior as a function of slope and surface roughness of hill-shaped landforms, using the Computational Fluid Dynamics (CFD) to build wind velocity and turbulent intensity profiles. Reynolds-Averaged Navier-Stokes (RANS) equations are closed using the SST k-ω turbulence model; numerical results are compared to experimental data measured in wind tunnel over scale models of the hills under consideration. Eight hill models with slopes varying from 25° to 68° were tested for two types of terrain categories in 2D and 3D, and two analytical codes are used to represent the inlet velocity profiles. Numerical results for the velocity profiles show differences under 4% when compared to their respective experimental data. Turbulent intensity profiles show maximum differences around 7% when compared to experimental data; this can be explained by not being possible to insert inlet turbulent intensity profiles in the simulations. Alternatively, constant values based on the averages of the turbulent intensity at the wind tunnel inlet were used.Keywords: Atmospheric Boundary Layer, Computational Fluid Dynamic (CFD), Numerical Modeling, Wind Tunnel
Procedia PDF Downloads 3731495 DYVELOP Method Implementation for the Research Development in Small and Middle Enterprises
Authors: Jiří F. Urbánek, David Král
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Small and Middle Enterprises (SME) have a specific mission, characteristics, and behavior in global business competitive environments. They must respect policy, rules, requirements and standards in all their inherent and outer processes of supply - customer chains and networks. Paper aims and purposes are to introduce computational assistance, which enables us the using of prevailing operation system MS Office (SmartArt...) for mathematical models, using DYVELOP (Dynamic Vector Logistics of Processes) method. It is providing for SMS´s global environment the capability and profit to achieve its commitment regarding the effectiveness of the quality management system in customer requirements meeting and also the continual improvement of the organization’s and SME´s processes overall performance and efficiency, as well as its societal security via continual planning improvement. DYVELOP model´s maps - the Blazons are able mathematically - graphically express the relationships among entities, actors, and processes, including the discovering and modeling of the cycling cases and their phases. The blazons need live PowerPoint presentation for better comprehension of this paper mission – added value analysis. The crisis management of SMEs is obliged to use the cycles for successful coping of crisis situations. Several times cycling of these cases is a necessary condition for the encompassment of the both the emergency event and the mitigation of organization´s damages. Uninterrupted and continuous cycling process is a good indicator and controlling actor of SME continuity and its sustainable development advanced possibilities.Keywords: blazons, computational assistance, DYVELOP method, small and middle enterprises
Procedia PDF Downloads 3311494 Blood Flow Simulations to Understand the Role of the Distal Vascular Branches of Carotid Artery in the Stroke Prediction
Authors: Muhsin Kizhisseri, Jorg Schluter, Saleh Gharie
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Atherosclerosis is the main reason of stroke, which is one of the deadliest diseases in the world. The carotid artery in the brain is the prominent location for atherosclerotic progression, which hinders the blood flow into the brain. The inclusion of computational fluid dynamics (CFD) into the diagnosis cycle to understand the hemodynamics of the patient-specific carotid artery can give insights into stroke prediction. Realistic outlet boundary conditions are an inevitable part of the numerical simulations, which is one of the major factors in determining the accuracy of the CFD results. The Windkessel model-based outlet boundary conditions can give more realistic characteristics of the distal vascular branches of the carotid artery, such as the resistance to the blood flow and compliance of the distal arterial walls. This study aims to find the most influential distal branches of the carotid artery by using the Windkessel model parameters in the outlet boundary conditions. The parametric study approach to Windkessel model parameters can include the geometrical features of the distal branches, such as radius and length. The incorporation of the variations of the geometrical features of the major distal branches such as the middle cerebral artery, anterior cerebral artery, and ophthalmic artery through the Windkessel model can aid in identifying the most influential distal branch in the carotid artery. The results from this study can help physicians and stroke neurologists to have a more detailed and accurate judgment of the patient's condition.Keywords: stroke, carotid artery, computational fluid dynamics, patient-specific, Windkessel model, distal vascular branches
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